4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline

C11H12BrN3 — CID 43662270

IUPAC4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCc1cc(Br)ccc1NCc1ccn[nH]1
InChIInChI=1S/C11H12BrN3/c1-8-6-9(12)2-3-11(8)13-7-10-4-5-14-15-10/h2-6,13H,7H2,1H3,(H,14,15)
InChIKeyGIPTYNZKECNZBM-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.09
Rot. Bonds3

About 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline

4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline (PubChem CID 43662270) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
PubChem CID43662270
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCc1cc(Br)ccc1NCc1ccn[nH]1
InChIInChI=1S/C11H12BrN3/c1-8-6-9(12)2-3-11(8)13-7-10-4-5-14-15-10/h2-6,13H,7H2,1H3,(H,14,15)
InChIKeyGIPTYNZKECNZBM-UHFFFAOYSA-N
XLogP3.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-bromo-2-methylphenyl)-1H-pyrazole
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N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline
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6-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indazol-4-amine
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CID 134144512
6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine
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6-bromo-N-propan-2-yl-1H-indazol-4-amine
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5-Bromo-2-ethyl-2H-indazole
CID 22558977

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline?
The IUPAC name of 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline (CID 43662270) is 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline is Cc1cc(Br)ccc1NCc1ccn[nH]1.
What is the InChIKey of 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline?
The InChIKey is GIPTYNZKECNZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-6-9(12)2-3-11(8)13-7-10-4-5-14-15-10/h2-6,13H,7H2,1H3,(H,14,15).
What are the key properties of 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline?
4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline has a molecular weight of 266.14 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline is sourced from PubChem (CID 43662270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).